Vitas-M small molecule compound
3-(1,3-benzodioxol-5-ylmethyl)-2-[(3,5-difluorobenzyl)sulfanyl]thieno[3,2-d]pyrimidin-4(3H)-one
Catalog ID
STL143408
SMILES Fc1cc(CSc2nc3ccsc3c(=O)n2Cc2ccc3c(c2)OCO3)cc(c1)F
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We supply compounds in quantities from 1 mg up to 5 g for research and development purposes only.
We do not supply quantities above 5 g.
Structure and other identifiers
2D representation rendered from the SMILES, with core physicochemical data.Formula C21H14F2N2O3S2 MW 444.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H14F2N2O3S2/c22-14-5-13(6-15(23)8-14)10-30-21-24-16-3-4-29-19(16)20(26)25(21)9-12-1-2-17-18(7-12)28-11-27-17/h1-8H,9-11H2InChIKey
XLNVMKSCZMBZNQ-UHFFFAOYSA-NSynonyms
3(13benzodioxol5ylmethyl)2((35difluorobenzyl)sulfanyl)thieno(32d)pyrimidin4(3H)one
3(13benzodioxol5ylmethyl)2((35difluorophenyl)methylsulfanyl)thieno(32d)pyrimidin4one
C1OC2=C(O1)C=C(C=C2)CN3C(=O)C4=C(C=CS4)N=C3SCC5=CC(=CC(=C5)F)F
InChI=1SC21H14F2N2O3S2c2214513(615(23)814)1030212416342919(16)20(26)25(21)912121718(712)28112717h18H911H2
MFCD20749199
ZINC000071327608
ZINC71327608
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